Hey all 
Here’s a demo app for embedding Speck molecular structures to Streamlit.
Try the app here.
Here’s the link to the GitHub repo.
Link to the tweet, for a quick video demo here
Will be happy to receive your feedbacks.
Cheers
Avra
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Hey all !
A quick update on the above app, there’s now a wrapper, around the speck mol structure in their new release -
(It’s amazing to see how fast Streamlit happenings spreads 
)
I had no clue, that this wrapper was written just a day back, here’s my version of streamlit component which I already started to work on meanwhile and could finish today 
pip install st-speckmol==0.0.3
Link to the Repo
So yeah, feel free to use whatever convenient incase interested to work with pretty speck structures.
Cheers
Avra
2 Likes
Well done Avra! I think I I’ll use this component frequently 
1 Like
Really great component! is it possible to visualize trajectories with speck?
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Hi @aswanthkrishna ,
Thank you for your response I’m glad that you liked the component.
So, I tried to test a trajectory file using mdtraj, refer to this latest commit -
:monocle_face: testing trajectory data with speck #4 · avrabyt/Specklit@7982d0c (github.com)
Unfortunately it doesnot work. As far as my understanding goes (correct me if I’m wrong, honestly I’m not an expertise or work extensively in this field) -
Speck recieves a particular format of .xyz and atoms, which seems to be different from the .xyz file when we create using mdtraj trajectory case ( Specklit/script.py at main · avrabyt/Specklit (github.com)). For better understanding please do consider comparing the files
-
Specklit/frame0.xyz at main · avrabyt/Specklit (github.com)
and - Specklit/testosterone.xyz at main · avrabyt/Specklit (github.com)
ATM I’m not aware of any workaround, I tried to load the same file in the main Speck app, which also shows error. Probably they are yet to implement this kinda of feature.
cc @napoles3d , since I know you have worked with spec before, are you aware of this issue ?
Best
Avra
Excellent example!
1 Like